4-hexadec-1-ynylpyridine-2,6-dicarboxylic acid

Systemtic Name: 4-hexadec-1-ynylpyridine-2,6-dicarboxylic acid Openeye Name: 4-hexadec-1-ynylpyridine-2,6-dicarboxylic acid CAS Name: 4-hexadec-1-ynylpyridine-2,6-dicarboxylic acid IUPAC Name: 4-hexadec-1-ynylpyridine-2,6-dicarboxylic acid Traditional Name: 4-hexadec-1-ynyldipicolinic acid Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC#CC1=CC(=NC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC#CC1=CC(=NC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C23H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(22(25)26)24-21(18-19)23(27)28/h17-18H,2-14H2,1H3,(H,25,26)(H,27,28)